CID 3025320

102446-20-8

Structural Information

Molecular Formula
C21H26ClNO
SMILES
CC(C)CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClNO/c1-16(2)14-23-13-12-20(15-23)24-21(17-6-4-3-5-7-17)18-8-10-19(22)11-9-18/h3-11,16,20-21H,12-15H2,1-2H3
InChIKey
LLFLRARDKKINCB-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethoxy]-1-(2-methylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.1703 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17758 184.3
[M+Na]+ 366.15952 198.1
[M+NH4]+ 361.20412 193.2
[M+K]+ 382.13346 190.8
[M-H]- 342.16302 190.1
[M+Na-2H]- 364.14497 192.6
[M]+ 343.16975 188.3
[M]- 343.17085 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe